2-(2-carboxybutylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-(2-carboxybutylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(2-carboxybutylsulfanyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-(2-carboxybutylthio)-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-(2-carboxybutylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-(2-carboxybutylthio)-4-methyl-thiazole-5-carboxylic acid Formula: C10H13NO4S2 MolecularWeight: 275.34452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=NC(=C(S1)C(=O)O)C)C(=O)O

Isomeric SMILES

CCC(CSC1=NC(=C(S1)C(=O)O)C)C(=O)O

InChI

InChI=1S/C10H13NO4S2/c1-3-6(8(12)13)4-16-10-11-5(2)7(17-10)9(14)15/h6H,3-4H2,1-2H3,(H,12,13)(H,14,15)